2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol

C25H24O2S — CID 23600091

IUPAC2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2cc3ccccc3s2)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C25H24O2S/c1-14-9-16(3)24(26)19(11-14)23(20-12-15(2)10-17(4)25(20)27)22-13-18-7-5-6-8-21(18)28-22/h5-13,23,26-27H,1-4H3
InChIKeyFPOZNVYVUDTHMX-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.73
Rot. Bonds3

About 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol

2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol (PubChem CID 23600091) has the molecular formula C25H24O2S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
PubChem CID23600091
Molecular FormulaC25H24O2S
Molecular Weight388.53 g/mol
Exact Mass388.15
IUPAC Name2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2cc3ccccc3s2)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C25H24O2S/c1-14-9-16(3)24(26)19(11-14)23(20-12-15(2)10-17(4)25(20)27)22-13-18-7-5-6-8-21(18)28-22/h5-13,23,26-27H,1-4H3
InChIKeyFPOZNVYVUDTHMX-UHFFFAOYSA-N
XLogP6.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[1-benzothiophen-2-yl-(3-tert-butyl-2-chlorooxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenyl] hypochlorite
CID 140976702
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanol
CID 115807031
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682258
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104982876

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol (CID 23600091) is 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(c2cc3ccccc3s2)c2cc(C)cc(C)c2O)c1.
What is the InChIKey of 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
The InChIKey is FPOZNVYVUDTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2S/c1-14-9-16(3)24(26)19(11-14)23(20-12-15(2)10-17(4)25(20)27)22-13-18-7-5-6-8-21(18)28-22/h5-13,23,26-27H,1-4H3.
What are the key properties of 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol?
2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol has a molecular weight of 388.53 g/mol, XLogP of 6.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 23600091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).